Home > Compound List > Compound details
 molecular structure
click picture or here to close

3-[5-(3-propyl-1H-pyrazole-5-carbonyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine

ChemBase ID: 340135
Molecular Formular: C18H20N6O
Molecular Mass: 336.391
Monoisotopic Mass: 336.16985929
SMILES and InChIs

SMILES:
N1(C(=O)c2[nH]nc(c2)CCC)C(c2c([nH]cn2)CC1)c1cnccc1
Canonical SMILES:
CCCc1n[nH]c(c1)C(=O)N1CCc2c(C1c1cccnc1)nc[nH]2
InChI:
InChI=1S/C18H20N6O/c1-2-4-13-9-15(23-22-13)18(25)24-8-6-14-16(21-11-20-14)17(24)12-5-3-7-19-10-12/h3,5,7,9-11,17H,2,4,6,8H2,1H3,(H,20,21)(H,22,23)
InChIKey:
PEDZZZLPMJRFIP-UHFFFAOYSA-N

Cite this record

CBID:340135 http://www.chembase.cn/molecule-340135.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[5-(3-propyl-1H-pyrazole-5-carbonyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine
IUPAC Traditional name
3-[5-(5-propyl-2H-pyrazole-3-carbonyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine
Synonyms
5-[(3-propyl-1H-pyrazol-5-yl)carbonyl]-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13829778 external link Add to cart
Data Source Data ID Price
ChemBridge
13829778 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.7523155  H Acceptors
H Donor LogD (pH = 5.5) 0.40723294 
LogD (pH = 7.4) 0.89522934  Log P 0.90931815 
Molar Refractivity 94.8578 cm3 Polarizability 35.324554 Å3
Polar Surface Area 90.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.67  LOG S -1.09 
Polar Surface Area 90.56 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle